SCHEMBL9728847

SCHEMBL9728847

O=C1CC=CC2=Nc3ccccc3OC=C12

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7622694 0.70 KDM4E (0.32) KDM4ENPC1ALDH1A1LMNAGAA
SCHEMBL4335211 0.62
SCHEMBL37435600 0.60 CYP1A2 (0.36) KDM4ENPC1ALDH1A1LMNAGAA
SCHEMBL10977948 0.58 MEN1 (0.36) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL15549945 0.58 KDM4E (0.36) KDM4ENPC1ALDH1A1LMNAGAA
SCHEMBL974163 0.58 CYP1A2 (0.36) KDM4ENPC1ALDH1A1LMNAGAA
SCHEMBL9279571 0.58 KDM4E (0.45) KDM4ENPC1ALDH1A1LMNAGAA
SCHEMBL1357123 0.56 IDO1 (0.31)
SCHEMBL29699894 0.56 NTSR1 (0.33) KDM4E
SCHEMBL29913884 0.56 IDO1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104980-A CHROMOGENIC DIBENZOXAZEPINONE AND DIBENZOTHIAZEPINONE ENZYME SUBSTRATES MILES INC. (US) 1992-04-14 US disclosed